1-[(3-fluorophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine

C17H20FN3 — CID 828709

IUPAC1-[(3-fluorophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine
SMILESFc1cccc(CN2CCN(Cc3ccncc3)CC2)c1
InChIInChI=1S/C17H20FN3/c18-17-3-1-2-16(12-17)14-21-10-8-20(9-11-21)13-15-4-6-19-7-5-15/h1-7,12H,8-11,13-14H2
InChIKeyLWQMOTRLXXBFRE-UHFFFAOYSA-N
MW285.37 g/mol
LogP2.54
Rot. Bonds4

About 1-[(3-fluorophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine

1-[(3-fluorophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine (PubChem CID 828709) has the molecular formula C17H20FN3 and a molecular weight of 285.37 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine
PubChem CID828709
Molecular FormulaC17H20FN3
Molecular Weight285.37 g/mol
Exact Mass285.16
IUPAC Name1-[(3-fluorophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine
SMILESFc1cccc(CN2CCN(Cc3ccncc3)CC2)c1
InChIInChI=1S/C17H20FN3/c18-17-3-1-2-16(12-17)14-21-10-8-20(9-11-21)13-15-4-6-19-7-5-15/h1-7,12H,8-11,13-14H2
InChIKeyLWQMOTRLXXBFRE-UHFFFAOYSA-N
XLogP2.54
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-fluorophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine;oxalic acid
CID 163326429
1-benzyl-4-[(3-fluorophenyl)methyl]piperazine
CID 764596
[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-[1-(pyridin-4-ylmethyl)piperidin-4-yl]methanone
CID 20754558
1-[(3-chlorophenyl)methyl]-4-[(3-fluorophenyl)methyl]piperazine
CID 3133648
1-(pyridin-4-ylmethyl)-4-[[4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]methyl]piperazine
CID 132515507
4-(3-fluorophenyl)-1-(pyridin-4-ylmethyl)piperidin-4-ol
CID 645747
1-(2-chloroethyl)-4-[(3-fluorophenyl)methyl]-1,4-diazepane
CID 63387530
1-[(3-fluorophenyl)methyl]-4-[(3-pyrazol-1-ylphenyl)methyl]piperazine
CID 56897722
1-[(3-fluorophenyl)methyl]-4-prop-2-ynylpiperazine
CID 138041794
1-[(3-fluorophenyl)methyl]piperazine;dihydrochloride
CID 53422102
1-[(2,3-difluorophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine
CID 75470128
4-[(3-fluorophenyl)methyl]piperazine-1-sulfonamide
CID 47147073

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine (CID 828709) is 1-[(3-fluorophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine is Fc1cccc(CN2CCN(Cc3ccncc3)CC2)c1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine?
The InChIKey is LWQMOTRLXXBFRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3/c18-17-3-1-2-16(12-17)14-21-10-8-20(9-11-21)13-15-4-6-19-7-5-15/h1-7,12H,8-11,13-14H2.
What are the key properties of 1-[(3-fluorophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine?
1-[(3-fluorophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine has a molecular weight of 285.37 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine is sourced from PubChem (CID 828709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).